N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide

C28H20F6N2O4S — CID 87097833

IUPACN-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C28H20F6N2O4S/c1-40-25-11-10-23(41(35,38)39)15-24(25)26(37)36-22-13-18(16-2-6-20(7-3-16)27(29,30)31)12-19(14-22)17-4-8-21(9-5-17)28(32,33)34/h2-15H,1H3,(H,36,37)(H2,35,38,39)
InChIKeyFRXVWWOBVIYTEY-UHFFFAOYSA-N
MW594.53 g/mol
LogP6.97
Rot. Bonds6

About N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide

N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 87097833) has the molecular formula C28H20F6N2O4S and a molecular weight of 594.53 g/mol. Its IUPAC name is N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID87097833
Molecular FormulaC28H20F6N2O4S
Molecular Weight594.53 g/mol
Exact Mass594.10
IUPAC NameN-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C28H20F6N2O4S/c1-40-25-11-10-23(41(35,38)39)15-24(25)26(37)36-22-13-18(16-2-6-20(7-3-16)27(29,30)31)12-19(14-22)17-4-8-21(9-5-17)28(32,33)34/h2-15H,1H3,(H,36,37)(H2,35,38,39)
InChIKeyFRXVWWOBVIYTEY-UHFFFAOYSA-N
XLogP6.97
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.53
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide (CID 87097833) is N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is FRXVWWOBVIYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O4S/c1-40-25-11-10-23(41(35,38)39)15-24(25)26(37)36-22-13-18(16-2-6-20(7-3-16)27(29,30)31)12-19(14-22)17-4-8-21(9-5-17)28(32,33)34/h2-15H,1H3,(H,36,37)(H2,35,38,39).
What are the key properties of N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide?
N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 594.53 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 87097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).